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Compound Detail

CHEMBL361288

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COC(C)(C)CCOc1cccc2ccc(N)nc12

Basic Information

ChEMBL ID CHEMBL361288
Phase Preclinical
Structure Type MOL
InChI Key LPHQANHABFNXJD-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

260.3
MW (Da)
3.01
ALogP
4
HBA
1
HBD
57.4
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20N2O2
MW 260.34
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.16

Activity Summary

IC50 2 meas. best 6.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
IC50 6.88 6.105 132.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15341942 10.1016/j.bmcl.2004.07.032 Melanin-concentrating hormone receptor 1 2

Data from ChEMBL 36 via Core Engine